ChemSpider 2D Image | Methyl (3beta,7beta,12alpha,20E)-3,7,12-trihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oate | C31H44O8

Methyl (3β,7β,12α,20E)-3,7,12-trihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oate

  • Molecular FormulaC31H44O8
  • Average mass544.676 Da
  • Monoisotopic mass544.303589 Da
  • ChemSpider ID78441246

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,7β,12α,20E)-3,7,12-Trihydroxy-11,15,23-trioxolanosta-8,20(22)-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 3,7,12-trihydroxy-11,15,23-trioxo-, methyl ester, (3β,7β,12α,20E)- [ACD/Index Name]
Methyl (3β,7β,12α,20E)-3,7,12-trihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oate [ACD/IUPAC Name]
Methyl-(3β,7β,12α,20E)-3,7,12-trihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oat [German] [ACD/IUPAC Name]
Ganodernoid F

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 224.7±26.4 °C
Index of Refraction: 1.570
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.22
ACD/KOC (pH 5.5): 1001.44
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.22
ACD/KOC (pH 7.4): 1001.42
Polar Surface Area: 138 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 436.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement